4-[[benzyl(phenyl)hydrazinylidene]methyl]benzene-1,2,3-triol

C20H18N2O3 — CID 4079078

IUPAC4-[[benzyl(phenyl)hydrazinylidene]methyl]benzene-1,2,3-triol
SMILESOc1ccc(C=NN(Cc2ccccc2)c2ccccc2)c(O)c1O
InChIInChI=1S/C20H18N2O3/c23-18-12-11-16(19(24)20(18)25)13-21-22(17-9-5-2-6-10-17)14-15-7-3-1-4-8-15/h1-13,23-25H,14H2
InChIKeyCUQSMROVLCUQPQ-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.84
Rot. Bonds5

About 4-[[benzyl(phenyl)hydrazinylidene]methyl]benzene-1,2,3-triol

4-[[benzyl(phenyl)hydrazinylidene]methyl]benzene-1,2,3-triol (PubChem CID 4079078) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-[[benzyl(phenyl)hydrazinylidene]methyl]benzene-1,2,3-triol.

Molecular Properties

Compound Name4-[[benzyl(phenyl)hydrazinylidene]methyl]benzene-1,2,3-triol
PubChem CID4079078
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name4-[[benzyl(phenyl)hydrazinylidene]methyl]benzene-1,2,3-triol
SMILESOc1ccc(C=NN(Cc2ccccc2)c2ccccc2)c(O)c1O
InChIInChI=1S/C20H18N2O3/c23-18-12-11-16(19(24)20(18)25)13-21-22(17-9-5-2-6-10-17)14-15-7-3-1-4-8-15/h1-13,23-25H,14H2
InChIKeyCUQSMROVLCUQPQ-UHFFFAOYSA-N
XLogP3.84
TPSA76.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[[benzyl(phenyl)hydrazinylidene]methyl]benzene-1,2,3-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-methoxyphenol
CID 4245483
N-benzyl-N-[(4-phenylphenyl)methylideneamino]aniline
CID 3486840
N-benzyl-N-[(E)-1H-indol-3-ylmethylideneamino]aniline
CID 135717367
N-benzyl-N-[(Z)-(4-methylphenyl)methylideneamino]aniline
CID 6268194
N-[(E)-anthracen-9-ylmethylideneamino]-N-benzylaniline
CID 21205176
4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-bromo-6-methoxyphenol
CID 3415919
4-[[(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2,3-triol
CID 171138438
(2R,3R,4E)-4-[benzyl(phenyl)hydrazinylidene]butane-1,2,3-triol
CID 98511351
N-benzyl-N-[(4-butoxyphenyl)methylideneamino]aniline
CID 4188991
4-[(4-phenyldiazenylphenyl)iminomethyl]benzene-1,2,3-triol
CID 136719331
N-benzyl-N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]aniline
CID 3720631
N-benzyl-N-[(E)-benzylideneamino]-3,5-dimethylaniline
CID 53376390

Frequently Asked Questions

What is the IUPAC name of 4-[[benzyl(phenyl)hydrazinylidene]methyl]benzene-1,2,3-triol?
The IUPAC name of 4-[[benzyl(phenyl)hydrazinylidene]methyl]benzene-1,2,3-triol (CID 4079078) is 4-[[benzyl(phenyl)hydrazinylidene]methyl]benzene-1,2,3-triol.
What is the SMILES notation for 4-[[benzyl(phenyl)hydrazinylidene]methyl]benzene-1,2,3-triol?
The canonical SMILES for 4-[[benzyl(phenyl)hydrazinylidene]methyl]benzene-1,2,3-triol is Oc1ccc(C=NN(Cc2ccccc2)c2ccccc2)c(O)c1O.
What is the InChIKey of 4-[[benzyl(phenyl)hydrazinylidene]methyl]benzene-1,2,3-triol?
The InChIKey is CUQSMROVLCUQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c23-18-12-11-16(19(24)20(18)25)13-21-22(17-9-5-2-6-10-17)14-15-7-3-1-4-8-15/h1-13,23-25H,14H2.
What are the key properties of 4-[[benzyl(phenyl)hydrazinylidene]methyl]benzene-1,2,3-triol?
4-[[benzyl(phenyl)hydrazinylidene]methyl]benzene-1,2,3-triol has a molecular weight of 334.38 g/mol, XLogP of 3.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[benzyl(phenyl)hydrazinylidene]methyl]benzene-1,2,3-triol is sourced from PubChem (CID 4079078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).